CID 14149607

113869-07-1

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
CC1(CCN2CCC(C3=C4C(=CC1=C32)C(=CC(=O)O4)C(F)(F)F)(C)C)C
InChI
InChI=1S/C20H22F3NO2/c1-18(2)5-7-24-8-6-19(3,4)15-16(24)13(18)9-11-12(20(21,22)23)10-14(25)26-17(11)15/h9-10H,5-8H2,1-4H3
InChIKey
WXAVVANKJAFARU-UHFFFAOYSA-N
Compound name
10,10,16,16-tetramethyl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.16028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 187.2
[M+Na]+ 388.14950 198.3
[M-H]- 364.15300 188.3
[M+NH4]+ 383.19410 205.0
[M+K]+ 404.12344 193.6
[M+H-H2O]+ 348.15754 176.1
[M+HCOO]- 410.15848 194.6
[M+CH3COO]- 424.17413 196.6
[M+Na-2H]- 386.13495 192.3
[M]+ 365.15973 185.4
[M]- 365.16083 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe